SKF-75670   Click here for help

GtoPdb Ligand ID: 936

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 43.7
Molecular weight 269.14
XLogP 2.62
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)O)O
Isomeric SMILES CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)O)O
InChI InChI=1S/C17H19NO2/c1-18-8-7-13-9-16(19)17(20)10-14(13)15(11-18)12-5-3-2-4-6-12/h2-6,9-10,15,19-20H,7-8,11H2,1H3
InChI Key LIHCKGZEDBNUJG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
Database Links Click here for help
BindingDB Ligand 81986
ChEMBL Ligand CHEMBL1193571
GtoPdb PubChem SID 135651049
PubChem CID 173871
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